A robotic platform for flow synthesis of organic compounds informed by AI planning-Reference-Cited by-同舟云学术

A robotic platform for flow synthesis of organic compounds informed by AI planning

Published:2019-08-09 Issue:6453 Volume:365 Page:
ISSN:0036-8075
Container-title:Science
language:en
Short-container-title:Science

Author:

Coley Connor W.¹^ORCID,Thomas Dale A.¹²^ORCID,Lummiss Justin A. M.³,Jaworski Jonathan N.³^ORCID,Breen Christopher P.³^ORCID,Schultz Victor¹^ORCID,Hart Travis¹^ORCID,Fishman Joshua S.²^ORCID,Rogers Luke¹^ORCID,Gao Hanyu¹^ORCID,Hicklin Robert W.³,Plehiers Pieter P.¹,Byington Joshua¹,Piotti John S.²,Green William H.¹^ORCID,Hart A. John²^ORCID,Jamison Timothy F.³^ORCID,Jensen Klavs F.¹^ORCID

Affiliation:

1. Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA.

2. Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA.

3. Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA.

Abstract

Pairing prediction and robotic synthesis Progress in automated synthesis of organic compounds has been proceeding along parallel tracks. One goal is algorithmic prediction of viable routes to a desired compound; the other is implementation of a known reaction sequence on a platform that needs little to no human intervention. Coley et al. now report preliminary integration of these two protocols. They paired a retrosynthesis prediction algorithm with a robotically reconfigurable flow apparatus. Human intervention was still required to supplement the predictor with practical considerations such as solvent choice and precise stoichiometry, although predictions should improve as accessible data accumulate for training. Science , this issue p. eaax1566

Funder

Defense Sciences Office, DARPA

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

Reference49 articles.

1. Organic synthesis provides opportunities to transform drug discovery

2. Automating drug discovery

3. Accelerating the discovery of materials for clean energy in the era of smart automation

4. Organic Synthesis: March of the Machines

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